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Acta Crystallographica. Section C, Crystal Structure Communications
|July 21, 2004
PubMed
Summary

Two molecules in the C(10)H(12)O(2) crystal structure are nearly identical and feature an intramolecular hydrogen bond. This structural feature, characterized by specific oxygen-oxygen distances, provides insight into molecular interactions.

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Area of Science:

  • Crystallography
  • Molecular Chemistry
  • Supramolecular Chemistry

Background:

  • Understanding the three-dimensional arrangement of atoms within crystals is fundamental to chemistry.
  • Intramolecular hydrogen bonds play a crucial role in stabilizing molecular conformations and influencing chemical properties.

Purpose of the Study:

  • To elucidate the crystal structure of the title compound, C(10)H(12)O(2).
  • To identify and characterize the presence and geometry of intramolecular hydrogen bonds within the crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the atomic arrangement.
  • Crystallographic data were analyzed to identify symmetry elements and bond parameters.

Main Results:

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  • The crystal structure of C(10)H(12)O(2) contains two symmetry-independent molecules that are essentially superimposable.
  • Each molecule exhibits a strong intramolecular O-H---O hydrogen bond.
  • The oxygen-oxygen separations for these hydrogen bonds were measured as 2.483 (4) Å and 2.468 (4) Å.

Conclusions:

  • The crystal structure confirms the presence of intramolecular hydrogen bonding in C(10)H(12)O(2).
  • The observed hydrogen bond geometry suggests significant stabilization of the molecular conformation.